Compound Identification
SMILES
CC(C)=CC(OC(C)=O)C(OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H](C1CCC(=C)C=O)C(\C)=C\C=O
InChIKey
InChIKey=AGFFLAGKMOJHPV-DEBHYTRESA-N
Formula
C26H34O9
Mass
490.549
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Monocyclic monoterpenoids Tricarboxylic acids and derivatives Enals Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Secoiridoid-skeleton - Monocyclic monoterpenoid - Tricarboxylic acid or derivatives - Alpha,beta-unsaturated aldehyde - Enal - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available